data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16874_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.64 _LACS_plot.Line_1_terminator_val_y_1 -2.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.57 _LACS_plot.Line_2_terminator_val_x_2 7.20 _LACS_plot.Line_2_terminator_val_y_2 5.40 _LACS_plot.Y_axis_chem_shift_offset 0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 82 THR 3.62 -1.56 0 91 PHE -3.73 -5.49 0 10 PHE 1.85 1.77 1 11 GLN -2.77 -2.84 1 12 GLN 4.24 4.70 1 13 ASP 3.97 2.45 1 14 LYS 1.71 0.72 1 15 PHE -2.96 0.44 1 16 LEU -0.54 -0.39 1 18 ARG 0.80 0.85 1 19 TRP -6.58 -1.98 1 20 TYR -1.58 -0.80 1 21 SER 0.00 -0.81 1 22 ALA -4.21 -0.60 1 24 LEU -7.89 -0.88 1 25 ALA -6.92 -1.68 1 26 SER -2.77 -1.36 1 27 ASN 0.01 -0.98 1 28 SER 0.37 -3.22 1 29 SER 0.95 0.97 1 30 TRP 0.71 0.38 1 31 PHE -5.91 -3.24 1 32 ARG -4.63 -2.24 1 33 GLU -0.54 -0.05 1 34 LYS 2.52 -0.29 1 35 LYS 3.65 1.16 1 36 GLU 0.05 0.21 1 37 LEU -0.06 -0.01 1 38 LEU -0.32 -0.46 1 39 PHE -5.22 -0.24 1 40 MET 2.78 0.03 1 42 GLN -4.39 -0.90 1 43 THR -2.24 0.22 1 44 VAL -0.63 -0.36 1 45 VAL 0.42 0.05 1 46 ALA -3.95 -0.80 1 48 SER -4.38 -2.62 1 49 THR 3.85 2.90 1 50 GLU 0.55 -0.03 1 53 LEU -6.93 -1.72 1 54 ASN -3.01 -0.82 1 55 LEU -1.40 -0.82 1 56 THR 1.32 0.67 1 57 SER -2.92 -0.80 1 58 THR -0.20 -1.39 1 59 PHE -5.28 -2.46 1 60 LEU 5.07 2.40 1 61 ARG 1.88 0.56 1 62 LYS 5.27 2.15 1 63 ASN 1.22 1.17 1 64 GLN -4.60 -1.85 1 66 GLU -4.97 -1.43 1 67 THR -2.99 -0.96 1 68 LYS -5.36 -1.43 1 69 VAL -1.87 -1.02 1 70 MET -4.63 -1.05 1 71 VAL -0.53 3.51 1 72 LEU 0.03 0.11 1 73 GLN 1.48 2.93 1 75 ALA -2.22 -1.54 1 77 VAL -2.09 -0.66 1 80 GLN -2.23 -0.82 1 81 TYR -6.85 -0.81 1 83 TYR -5.67 -3.32 1 84 ASN -3.95 -0.54 1 85 SER -6.00 -0.35 1 87 HIS -0.46 -0.42 1 88 TRP -0.93 -1.23 1 90 SER 5.51 3.53 1 92 HIS -2.74 -1.99 1 95 SER -4.11 -1.86 1 96 VAL 3.82 0.02 1 97 VAL 4.33 3.93 1 98 GLU -6.08 -1.93 1 99 THR -1.56 -2.10 1 100 ASP -2.92 -1.69 1 101 TYR -4.37 0.34 1 102 ASP -0.54 1.00 1 103 GLU -0.23 2.84 1 104 TYR -6.82 -0.87 1 105 ALA -3.98 -0.64 1 106 PHE -5.19 -0.21 1 107 LEU -1.09 -0.46 1 108 PHE -6.69 -0.90 1 109 SER 0.03 0.21 1 110 LYS 3.70 -0.12 1 112 THR -9.64 -5.91 1 113 LYS -0.32 0.08 1 117 GLN -3.06 -0.12 1 118 ASP 3.13 -0.44 1 119 PHE -7.19 -3.18 1 120 ARG -1.63 0.30 1 122 ALA -5.62 -2.38 1 123 THR -0.78 0.75 1 124 LEU 0.59 -1.14 1 125 TYR -3.85 -3.83 1 126 SER -5.11 -2.55 1 127 ARG 1.13 0.73 1 128 ALA -4.51 -2.20 1 129 GLN 2.49 2.09 1 130 LEU -1.50 -1.54 1 131 LEU -2.18 -1.16 1 132 LYS 0.09 0.24 1 133 GLU 4.11 3.42 1 134 GLU 3.69 3.02 1 135 LEU 2.29 1.78 1 136 LYS 6.08 4.67 1 137 GLU 3.57 2.99 1 138 LYS 3.57 3.53 1 139 PHE 3.26 3.12 1 140 ILE 6.15 5.32 1 141 THR 6.47 5.31 1 142 PHE 3.18 3.14 1 143 SER 7.20 5.58 1 144 LYS 4.16 2.73 1 145 ASP 3.87 2.56 1 146 GLN -0.02 -2.26 1 148 LEU -0.78 -1.80 1 149 THR -3.76 -1.62 1 150 GLU 4.43 3.81 1 151 GLU 2.31 1.71 1 152 ASP -0.92 0.57 1 153 ILE -0.82 0.33 1 154 VAL -4.91 -1.75 1 155 PHE 1.75 0.79 1 156 LEU -0.50 -0.24 1 158 GLN 3.84 4.16 1 160 ASP 0.72 0.36 1 161 LYS 2.39 -0.57 1 163 ILE -1.07 -0.58 1 164 GLN 0.69 0.72 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16874_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.64 _LACS_plot.Line_1_terminator_val_y_1 6.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.43 _LACS_plot.Line_2_terminator_val_x_2 7.20 _LACS_plot.Line_2_terminator_val_y_2 -1.80 _LACS_plot.Y_axis_chem_shift_offset 0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 82 THR 3.62 -5.18 0 91 PHE -3.73 -1.76 0 10 PHE 1.85 -0.08 1 11 GLN -2.77 -0.07 1 12 GLN 4.24 0.46 1 13 ASP 3.97 -1.52 1 14 LYS 1.71 -0.99 1 15 PHE -2.96 3.40 1 16 LEU -0.54 0.15 1 18 ARG 0.80 0.05 1 19 TRP -6.58 4.60 1 20 TYR -1.58 0.78 1 21 SER 0.00 -0.81 1 22 ALA -4.21 3.61 1 24 LEU -7.89 7.01 1 25 ALA -6.92 5.24 1 26 SER -2.77 1.41 1 27 ASN 0.01 -0.99 1 28 SER 0.37 -3.59 1 29 SER 0.95 0.02 1 30 TRP 0.71 -0.33 1 31 PHE -5.91 2.67 1 32 ARG -4.63 2.39 1 33 GLU -0.54 0.49 1 34 LYS 2.52 -2.81 1 35 LYS 3.65 -2.49 1 36 GLU 0.05 0.16 1 37 LEU -0.06 0.05 1 38 LEU -0.32 -0.14 1 39 PHE -5.22 4.98 1 40 MET 2.78 -2.75 1 42 GLN -4.39 3.49 1 43 THR -2.24 2.46 1 44 VAL -0.63 0.27 1 45 VAL 0.42 -0.37 1 46 ALA -3.95 3.15 1 48 SER -4.38 1.76 1 49 THR 3.85 -0.95 1 50 GLU 0.55 -0.58 1 53 LEU -6.93 5.21 1 54 ASN -3.01 2.19 1 55 LEU -1.40 0.58 1 56 THR 1.32 -0.65 1 57 SER -2.92 2.12 1 58 THR -0.20 -1.19 1 59 PHE -5.28 2.82 1 60 LEU 5.07 -2.67 1 61 ARG 1.88 -1.32 1 62 LYS 5.27 -3.12 1 63 ASN 1.22 -0.05 1 64 GLN -4.60 2.75 1 66 GLU -4.97 3.54 1 67 THR -2.99 2.03 1 68 LYS -5.36 3.93 1 69 VAL -1.87 0.85 1 70 MET -4.63 3.58 1 71 VAL -0.53 4.04 1 72 LEU 0.03 0.08 1 73 GLN 1.48 1.45 1 75 ALA -2.22 0.68 1 77 VAL -2.09 1.43 1 80 GLN -2.23 1.41 1 81 TYR -6.85 6.04 1 83 TYR -5.67 2.35 1 84 ASN -3.95 3.41 1 85 SER -6.00 5.65 1 87 HIS -0.46 0.04 1 88 TRP -0.93 -0.30 1 90 SER 5.51 -1.98 1 92 HIS -2.74 0.75 1 95 SER -4.11 2.25 1 96 VAL 3.82 -3.80 1 97 VAL 4.33 -0.40 1 98 GLU -6.08 4.15 1 99 THR -1.56 -0.54 1 100 ASP -2.92 1.23 1 101 TYR -4.37 4.71 1 102 ASP -0.54 1.54 1 103 GLU -0.23 3.07 1 104 TYR -6.82 5.95 1 105 ALA -3.98 3.34 1 106 PHE -5.19 4.98 1 107 LEU -1.09 0.63 1 108 PHE -6.69 5.79 1 109 SER 0.03 0.18 1 110 LYS 3.70 -3.82 1 112 THR -9.64 3.73 1 113 LYS -0.32 0.40 1 117 GLN -3.06 2.94 1 118 ASP 3.13 -3.57 1 119 PHE -7.19 4.01 1 120 ARG -1.63 1.93 1 122 ALA -5.62 3.24 1 123 THR -0.78 1.53 1 124 LEU 0.59 -1.73 1 125 TYR -3.85 0.02 1 126 SER -5.11 2.56 1 127 ARG 1.13 -0.40 1 128 ALA -4.51 2.31 1 129 GLN 2.49 -0.40 1 130 LEU -1.50 -0.04 1 131 LEU -2.18 1.02 1 132 LYS 0.09 0.15 1 133 GLU 4.11 -0.69 1 134 GLU 3.69 -0.67 1 135 LEU 2.29 -0.51 1 136 LYS 6.08 -1.41 1 137 GLU 3.57 -0.58 1 138 LYS 3.57 -0.04 1 139 PHE 3.26 -0.14 1 140 ILE 6.15 -0.83 1 141 THR 6.47 -1.16 1 142 PHE 3.18 -0.04 1 143 SER 7.20 -1.62 1 144 LYS 4.16 -1.43 1 145 ASP 3.87 -1.31 1 146 GLN -0.02 -2.24 1 148 LEU -0.78 -1.02 1 149 THR -3.76 2.14 1 150 GLU 4.43 -0.62 1 151 GLU 2.31 -0.60 1 152 ASP -0.92 1.49 1 153 ILE -0.82 1.15 1 154 VAL -4.91 3.16 1 155 PHE 1.75 -0.96 1 156 LEU -0.50 0.26 1 158 GLN 3.84 0.32 1 160 ASP 0.72 -0.36 1 161 LYS 2.39 -2.96 1 163 ILE -1.07 0.49 1 164 GLN 0.69 0.03 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16874_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.64 _LACS_plot.Line_1_terminator_val_y_1 0.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.32 _LACS_plot.Line_2_terminator_val_x_2 7.20 _LACS_plot.Line_2_terminator_val_y_2 -0.64 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 112 THR -9.64 -0.29 0 10 PHE 1.85 -0.50 1 11 GLN -2.77 -0.07 1 12 GLN 4.24 -0.85 1 13 ASP 3.97 -0.40 1 14 LYS 1.71 -0.23 1 15 PHE -2.96 0.17 1 16 LEU -0.54 -0.37 1 18 ARG 0.80 0.25 1 19 TRP -6.58 -0.12 1 20 TYR -1.58 0.73 1 21 SER 0.00 0.68 1 22 ALA -4.21 0.56 1 24 LEU -7.89 1.15 1 25 ALA -6.92 1.17 1 26 SER -2.77 0.74 1 27 ASN 0.01 0.16 1 29 SER 0.95 1.16 1 30 TRP 0.71 -0.53 1 31 PHE -5.91 -0.20 1 32 ARG -4.63 0.07 1 33 GLU -0.54 -0.16 1 34 LYS 2.52 0.29 1 35 LYS 3.65 0.46 1 36 GLU 0.05 -0.10 1 37 LEU -0.06 0.86 1 38 LEU -0.32 0.44 1 39 PHE -5.22 1.02 1 40 MET 2.78 0.20 1 42 GLN -4.39 0.59 1 43 THR -2.24 0.66 1 44 VAL -0.63 0.26 1 45 VAL 0.42 0.52 1 46 ALA -3.95 0.51 1 48 SER -4.38 0.44 1 49 THR 3.85 -0.22 1 50 GLU 0.55 0.10 1 53 LEU -6.93 0.83 1 54 ASN -3.01 0.48 1 55 LEU -1.40 0.63 1 56 THR 1.32 0.68 1 57 SER -2.92 1.45 1 58 THR -0.20 1.16 1 60 LEU 5.07 0.01 1 61 ARG 1.88 -0.05 1 62 LYS 5.27 -0.45 1 63 ASN 1.22 -0.35 1 64 GLN -4.60 0.34 1 66 GLU -4.97 0.18 1 67 THR -2.99 1.30 1 68 LYS -5.36 0.52 1 69 VAL -1.87 1.02 1 70 MET -4.63 0.38 1 71 VAL -0.53 -0.25 1 72 LEU 0.03 -0.06 1 73 GLN 1.48 -0.47 1 75 ALA -2.22 0.34 1 77 VAL -2.09 0.07 1 80 GLN -2.23 0.66 1 81 TYR -6.85 0.86 1 82 THR 3.62 1.11 1 83 TYR -5.67 0.12 1 84 ASN -3.95 -0.10 1 85 SER -6.00 -0.14 1 87 HIS -0.46 -0.10 1 88 TRP -0.93 -0.20 1 91 PHE -3.73 1.07 1 92 HIS -2.74 0.60 1 95 SER -4.11 1.05 1 96 VAL 3.82 -0.27 1 97 VAL 4.33 -0.59 1 98 GLU -6.08 0.61 1 99 THR -1.56 -0.40 1 100 ASP -2.92 -0.02 1 102 ASP -0.54 -0.03 1 103 GLU -0.23 0.46 1 104 TYR -6.82 1.76 1 105 ALA -3.98 0.19 1 106 PHE -5.19 1.06 1 107 LEU -1.09 0.06 1 108 PHE -6.69 -0.37 1 109 SER 0.03 0.03 1 110 LYS 3.70 0.02 1 113 LYS -0.32 0.10 1 117 GLN -3.06 -0.08 1 118 ASP 3.13 -0.19 1 119 PHE -7.19 0.23 1 120 ARG -1.63 0.30 1 122 ALA -5.62 1.49 1 123 THR -0.78 0.60 1 124 LEU 0.59 0.40 1 125 TYR -3.85 1.31 1 126 SER -5.11 1.43 1 127 ARG 1.13 -0.05 1 128 ALA -4.51 0.49 1 129 GLN 2.49 -0.98 1 130 LEU -1.50 0.05 1 131 LEU -2.18 0.10 1 132 LYS 0.09 -0.01 1 133 GLU 4.11 -0.58 1 134 GLU 3.69 -0.22 1 135 LEU 2.29 -0.14 1 136 LYS 6.08 -0.42 1 137 GLU 3.57 -0.29 1 138 LYS 3.57 -0.12 1 139 PHE 3.26 -0.77 1 140 ILE 6.15 -0.70 1 141 THR 6.47 -0.65 1 142 PHE 3.18 -0.40 1 143 SER 7.20 -1.36 1 144 LYS 4.16 0.10 1 145 ASP 3.87 -0.31 1 146 GLN -0.02 -0.34 1 148 LEU -0.78 0.27 1 149 THR -3.76 0.28 1 150 GLU 4.43 -0.51 1 151 GLU 2.31 -0.16 1 152 ASP -0.92 0.21 1 153 ILE -0.82 0.24 1 154 VAL -4.91 0.37 1 155 PHE 1.75 0.39 1 156 LEU -0.50 -0.20 1 158 GLN 3.84 -0.52 1 160 ASP 0.72 -0.22 1 161 LYS 2.39 0.14 1 163 ILE -1.07 0.24 1 164 GLN 0.69 -0.02 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16874_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.64 _LACS_plot.Line_1_terminator_val_y_1 -1.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.60 _LACS_plot.Line_2_terminator_val_x_2 7.20 _LACS_plot.Line_2_terminator_val_y_2 1.11 _LACS_plot.Y_axis_chem_shift_offset 0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 37 LEU -0.06 -5.06 0 99 THR -1.56 -5.35 0 144 LYS 4.16 4.75 0 112 THR -9.64 1.66 0 84 ASN -3.95 4.31 0 10 PHE 1.85 -0.31 1 11 GLN -2.77 -1.82 1 12 GLN 4.24 1.17 1 13 ASP 3.97 2.08 1 14 LYS 1.71 -0.20 1 15 PHE -2.96 -2.74 1 16 LEU -0.54 -0.25 1 18 ARG 0.80 -0.61 1 19 TRP -6.58 -2.48 1 20 TYR -1.58 0.94 1 21 SER 0.00 -1.44 1 22 ALA -4.21 0.06 1 24 LEU -7.89 -3.11 1 25 ALA -6.92 -1.84 1 26 SER -2.77 -3.27 1 27 ASN 0.01 0.44 1 28 SER 0.37 2.63 1 29 SER 0.95 1.76 1 30 TRP 0.71 0.59 1 31 PHE -5.91 0.86 1 32 ARG -4.63 -0.22 1 33 GLU -0.54 -0.55 1 34 LYS 2.52 -2.69 1 35 LYS 3.65 1.57 1 36 GLU 0.05 -0.23 1 39 PHE -5.22 -1.43 1 40 MET 2.78 -1.65 1 42 GLN -4.39 -1.75 1 43 THR -2.24 -2.47 1 44 VAL -0.63 -0.85 1 45 VAL 0.42 -1.18 1 48 SER -4.38 2.04 1 49 THR 3.85 0.98 1 50 GLU 0.55 0.43 1 53 LEU -6.93 -3.14 1 54 ASN -3.01 -1.24 1 55 LEU -1.40 -1.27 1 56 THR 1.32 0.76 1 57 SER -2.92 -2.04 1 58 THR -0.20 2.46 1 59 PHE -5.28 1.40 1 60 LEU 5.07 -3.20 1 61 ARG 1.88 -0.29 1 62 LYS 5.27 -1.29 1 63 ASN 1.22 -1.45 1 64 GLN -4.60 -2.37 1 66 GLU -4.97 -2.55 1 67 THR -2.99 -0.07 1 68 LYS -5.36 -2.27 1 69 VAL -1.87 -0.43 1 70 MET -4.63 -2.78 1 71 VAL -0.53 0.04 1 72 LEU 0.03 -0.32 1 75 ALA -2.22 -0.79 1 80 GLN -2.23 -0.86 1 81 TYR -6.85 0.11 1 82 THR 3.62 2.27 1 83 TYR -5.67 0.26 1 87 HIS -0.46 1.77 1 88 TRP -0.93 0.22 1 90 SER 5.51 -1.36 1 91 PHE -3.73 -1.65 1 95 SER -4.11 -0.56 1 96 VAL 3.82 -2.28 1 97 VAL 4.33 -1.51 1 98 GLU -6.08 -2.26 1 101 TYR -4.37 -0.53 1 102 ASP -0.54 0.04 1 103 GLU -0.23 0.33 1 104 TYR -6.82 -1.74 1 105 ALA -3.98 -3.45 1 106 PHE -5.19 2.49 1 107 LEU -1.09 -2.10 1 108 PHE -6.69 0.58 1 109 SER 0.03 0.00 1 110 LYS 3.70 -0.30 1 113 LYS -0.32 -0.88 1 117 GLN -3.06 1.29 1 118 ASP 3.13 -0.34 1 119 PHE -7.19 0.57 1 120 ARG -1.63 -0.30 1 122 ALA -5.62 -1.85 1 123 THR -0.78 -3.28 1 124 LEU 0.59 -2.82 1 125 TYR -3.85 -0.85 1 126 SER -5.11 2.00 1 127 ARG 1.13 0.93 1 128 ALA -4.51 -0.56 1 129 GLN 2.49 -1.40 1 130 LEU -1.50 -1.60 1 131 LEU -2.18 -0.78 1 132 LYS 0.09 1.37 1 133 GLU 4.11 2.39 1 134 GLU 3.69 2.17 1 135 LEU 2.29 1.04 1 136 LYS 6.08 1.90 1 137 GLU 3.57 3.05 1 138 LYS 3.57 2.82 1 139 PHE 3.26 2.23 1 140 ILE 6.15 1.10 1 141 THR 6.47 0.74 1 142 PHE 3.18 0.95 1 143 SER 7.20 1.78 1 145 ASP 3.87 1.38 1 146 GLN -0.02 0.31 1 148 LEU -0.78 -2.37 1 149 THR -3.76 0.99 1 150 GLU 4.43 1.89 1 151 GLU 2.31 0.02 1 152 ASP -0.92 -2.21 1 153 ILE -0.82 -0.44 1 154 VAL -4.91 -2.57 1 155 PHE 1.75 0.25 1 160 ASP 0.72 -1.30 1 161 LYS 2.39 -1.00 1 163 ILE -1.07 -1.02 1 164 GLN 0.69 0.02 1 stop_ save_